Glycoside
GD031124
Name:
NoneFormula:
C24H26O4N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)c2ccc3ccccc3c2)[C@H](O)[C@H]1OAglycone:
CSCCCNC(=O)c1ccc2ccccc2c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.58 | Num_heavy_atoms: | 35 |
| TPSA: | 148.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD20075
Formula: C15H17ONS
Smiles:
CSCCCNC(=O)c1ccc2ccccc2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 259.37 | Num_heavy_atoms: | 18 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
